| SpectraBase Spectrum ID |
4ye7GEF9yqp |
| Name |
Fumaric acid, 2-norbornyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.323959893 u |
| Formula |
C26H44O4 |
| InChI |
InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29-25(27)17-18-26(28)30-24-21-22-15-16-23(24)20-22/h17-18,22-24H,2-16,19-21H2,1H3/b18-17+/t22-,23+,24+/m1/s1 |
| InChIKey |
OQVUHHFUOKTKOH-SDALJLPISA-N |
| Molecular Weight |
420.634 g/mol |
| SMILES |
CCCCCCCCCCCCCCCOC(\C=C\C(O[C@]1(C[C@@]2(CC[C@]1(C2)[H])[H])[H])=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848785 |
